Hydrochloric Acid → HCID 178446974, compound

HRID 2312900Notes

Reaction equation

HRID 2312900 reaction equation
[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[N:39]1[CH2:40][CH:41]([O:58][CH2:59][C:60]([CH3:61])([CH3:62])[CH3:63])[O:42][CH2:43][CH:44]1[CH:45]([CH:46]([CH2:47][c:48]1[cH:49][c:50]([F:55])[cH:51][c:52]([F:54])[cH:53]1)[NH2:56])[OH:57].[CH3:10][N:11]([CH3:12])[CH2:13][CH2:14][CH2:15][N:16]=[C:17]=[N:18][CH2:19][CH3:20].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH:1]1([C:6](=[O:7])[OH:8])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:71][CH2:72][Cl:73].[ClH:9].[OH2:21].[OH:22][n:23]1[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[CH:1]1([C:6](=[O:8])[NH:56][CH:46]([CH:45]([CH:44]2[N:39]([C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[CH2:40][CH:41]([O:58][CH2:59][C:60]([CH3:61])([CH3:62])[CH3:63])[O:42][CH2:43]2)[OH:57])[CH2:47][c:48]2[cH:49][c:50]([F:55])[cH:51][c:52]([F:54])[cH:53]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 18840Cyclopentanecarboxylic acidHCID 757711-HydroxybenzotriazoleHCID 77514319Tert-butyl 5-[2-amino-3-(3,5-difluorophenyl)-1-hydroxypropyl]-2-(2,2-dimethylpropoxy)morpholine-4-carboxylate

Product 1

HCID 178446974HCID 178446974, compound

Sources & evidence

ORD record
ord-149cabd23c6c4ae8ad7cb00dc0141fd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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